| SpectraBase Compound ID | AN2Z8UG3SSb |
|---|---|
| InChI | InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(27)21-25(28)26-23-19-16-17-20-24(23)29-2/h16-17,19-20H,3-15,18,21H2,1-2H3,(H,26,28) |
| InChIKey | XCGMZDCHFSTBMW-UHFFFAOYSA-N |
| Mol Weight | 403.6 g/mol |
| Molecular Formula | C25H41NO3 |
| Exact Mass | 403.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4838XZkkOV |
|---|---|
| Name | 2-Palmitoyl-o-acetanisidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.308644181 u |
| Formula | C25H41NO3 |
| InChI | InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22(27)21-25(28)26-23-19-16-17-20-24(23)29-2/h16-17,19-20H,3-15,18,21H2,1-2H3,(H,26,28) |
| InChIKey | XCGMZDCHFSTBMW-UHFFFAOYSA-N |
| Molecular Weight | 403.607 g/mol |
| SMILES | N(C1=CC=CC=C1OC)C(CC(CCCCCCCCCCCCCCC)=O)=O |